Information card for entry 7128143

Structure parameters

• Formula: C23 H21 F O5
• Calculated formula: C23 H21 F O5
• SMILES: F[C@@]12C(=O)c3c(O[C@@]1(O[C@@H](OC(=O)C)C[C@H]2C)/C=C/c1ccccc1)cccc3
• Title of publication: Assembly of fluorinated chromanones <i>via</i> enantioselective tandem reaction.
• Authors of publication: Lu, Mengxue; Xiong, Zongli; Zhou, Yuqiao; Wang, Xin; Li, Xiaoyi; Duan, Jingxiang; Yao, Weijun; Xia, Yi; Wang, Zhen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 38
• Pages of publication: 4722 - 4725
• a: 8.5243 ± 0.0002 Å
• b: 14.7793 ± 0.0004 Å
• c: 15.8032 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1990.94 ± 0.09 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No